2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide

C17H22N4O — CID 109333535

IUPAC2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1nc(C)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-4-5-11-21(3)17-18-13(2)12-15(20-17)16(22)19-14-9-7-6-8-10-14/h6-10,12H,4-5,11H2,1-3H3,(H,19,22)
InChIKeyYNLOMXALZMHSIA-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.27
Rot. Bonds6

About 2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide

2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109333535) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109333535
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1nc(C)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-4-5-11-21(3)17-18-13(2)12-15(20-17)16(22)19-14-9-7-6-8-10-14/h6-10,12H,4-5,11H2,1-3H3,(H,19,22)
InChIKeyYNLOMXALZMHSIA-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109333607
2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109333587
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109333574
ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109333628
N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109332729
N-butan-2-yl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109321443
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
2-[butyl(methyl)amino]-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327703
2-[benzyl(methyl)amino]-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109328260
2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331713
(4-benzylpiperazin-1-yl)-[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109331519
2-[benzyl(methyl)amino]-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109328285

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide (CID 109333535) is 2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide is CCCCN(C)c1nc(C)cc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is YNLOMXALZMHSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-5-11-21(3)17-18-13(2)12-15(20-17)16(22)19-14-9-7-6-8-10-14/h6-10,12H,4-5,11H2,1-3H3,(H,19,22).
What are the key properties of 2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide?
2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109333535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).